2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide

C12H19F3N2O — CID 79797606

IUPAC2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)NCCC1=CCCCC1)C(F)(F)F
InChIInChI=1S/C12H19F3N2O/c1-11(16,12(13,14)15)10(18)17-8-7-9-5-3-2-4-6-9/h5H,2-4,6-8,16H2,1H3,(H,17,18)
InChIKeyORTWFLSITSWDNN-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.27
Rot. Bonds4

About 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79797606) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79797606
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)NCCC1=CCCCC1)C(F)(F)F
InChIInChI=1S/C12H19F3N2O/c1-11(16,12(13,14)15)10(18)17-8-7-9-5-3-2-4-6-9/h5H,2-4,6-8,16H2,1H3,(H,17,18)
InChIKeyORTWFLSITSWDNN-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide (CID 79797606) is 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide is CC(N)(C(=O)NCCC1=CCCCC1)C(F)(F)F.
What is the InChIKey of 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is ORTWFLSITSWDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-11(16,12(13,14)15)10(18)17-8-7-9-5-3-2-4-6-9/h5H,2-4,6-8,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 264.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79797606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).